Information card for entry 4513925

Structure parameters

• Common name: AESI-297
• Chemical name: Compound-(L5)Rh
• Formula: C22 H35 B F4 P Rh
• Calculated formula: C22 H35 B F4 P Rh
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]7[cH]1[Rh]134567([CH2]=[CH2]1)[P](CC2)(C1CCCCC1)C1CCCCC1.[B](F)(F)(F)[F-]
• Title of publication: Synthetic and Computational Studies on the Rhodium-Catalyzed Hydroamination of Aminoalkenes
• Authors of publication: Strom, Alexandra E.; Balcells, David; Hartwig, John F.
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 5651
• a: 10.1423 ± 0.0004 Å
• b: 10.3515 ± 0.0004 Å
• c: 12.0166 ± 0.0005 Å
• α: 91.342 ± 0.002°
• β: 100.981 ± 0.001°
• γ: 115.42 ± 0.001°
• Cell volume: 1110.7 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No